SCHEMBL31028233

SCHEMBL31028233

CCOC(=O)C1=NS(=O)(=O)c2ccc(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31028235 0.86 TSHR (0.44) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL31028268 0.85 PKLR (0.45) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL31028281 0.85 PKLR (0.45) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL31028249 0.85 L3MBTL1 (0.52) ALDH1A1HPGDKDM4ERAB9AGAA
SCHEMBL31028237 0.84 MAPT (0.37) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL31028223 0.83 MAPT (0.41) ALDH1A1SMN1; SMN2HPGDKDM4ERAB9A
SCHEMBL31028242 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL9460076 0.82 PKM (0.55) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL31028244 0.81 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E
SCHEMBL31028226 0.69 CYP1A2 (0.42) ALDH1A1SMN1; SMN2HPGDNPSR1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459481-A Sulfonyl lactam tetrahydropyridine compound containing exocyclic methylene and preparation method thereof 安徽久易农业股份有限公司 2024-08-09 CN claimed
CN-118459481-A Sulfonyl lactam tetrahydropyridine compound containing exocyclic methylene and preparation method thereof 安徽久易农业股份有限公司 2024-08-09 CN disclosed